SIMONE Software Equations and Methods

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SIMONE SOFTWARE
Equations and Methods
 Copyright 2004 LIWACOM Informationstechnik GmbH and SIMONE Research Group s.r.o.
All rights reserved
Contents
1 INTRODUCTION .......................................................................................................................... 5
2 UNITS ........................................................................................................................................... 6
2.1 GAUGE PRESSURE FOR LOW-PRESSURE NETWORKS ......................................................................... 6
3 FLOW EQUATIONS..................................................................................................................... 7
3.1 CONTINUITY EQUATION .................................................................................................................... 7
3.2 MOMENTUM EQUATION .................................................................................................................... 7
3.3 FRICTION FACTOR ........................................................................................................................... 8
3.3.1 Hofer formula .................................................................................................................................. 8
3.3.2 Nikuradze formula .......................................................................................................................... 8
3.3.3 PMT-1025 formula.......................................................................................................................... 8
3.3.4 Pipe efficiency................................................................................................................................. 9
3.3.5 Comparison of Hofer and Nikuradze formulae ............................................................................. 11
4 EQUATION OF STATE FOR REAL GAS.................................................................................. 15
4.1 AGA (AMERICAN GAS ASSOCIATION)............................................................................................. 16
4.2 PAPAY FORMULA ........................................................................................................................... 16
4.3 REDLICH-KWONG EQUATION .......................................................................................................... 16
4.4 BWR EQUATION ........................................................................................................................... 17
4.4.1 Simple fluid approach ................................................................................................................... 17
4.4.2 Full mixing rules............................................................................................................................ 19
4.5 AGA8 DC92 EQUATION ................................................................................................................ 19
4.6 THERMODYNAMIC PROPERTIES OF REAL GAS .................................................................................. 20
4.6.1 Specific heat ................................................................................................................................. 20
4.6.2 Isentropic exponent ...................................................................................................................... 21
4.6.3 Joule-Thomson coefficient............................................................................................................ 21
4.7 CALCULATION OF GAS PROPERTIES USING GAS COMPOSITION .......................................................... 22
4.7.1 Calculation of relative density and volumetric heating value using gas composition................... 23
4.7.2 Conversion of molar to volumetric fractions and vice versa......................................................... 24
5 QUALITY TRACKING ................................................................................................................ 25
5.1 SOLUTION PROCEDURE ................................................................................................................. 25
5.2 QUALITY PARAMETERS .................................................................................................................. 25
5.3 MIXING RULES ............................................................................................................................... 26
6 HEAT DYNAMICS...................................................................................................................... 28
6.1 DIFFERENTIAL EQUATIONS............................................................................................................. 28
6.2 HEAT TRANSFER COEFFICIENT IN SIMONE.................................................................................... 29
6.3 SUPPRESSING THE JOULE-THOMSON EFFECT FOR PIPES ................................................................. 31
7 COMPRESSOR STATIONS....................................................................................................... 32
7.1 BASIC THERMODYNAMICS RELATIONS ............................................................................................. 32
7.1.1 Pressure ratio ............................................................................................................................... 32
7.1.2 Adiabatic head .............................................................................................................................. 32
7.1.3 Adiabatic efficiency....................................................................................................................... 32
7.1.4 Shaft power................................................................................................................................... 32
7.1.5 Discharge temperature ................................................................................................................. 33
7.1.6 Isentropic exponent ...................................................................................................................... 34
7.1.7 Volumetric flow rate ...................................................................................................................... 34
7.2 CENTRIFUGAL COMPRESSOR ......................................................................................................... 35
7.3 RECIPROCATING COMPRESSOR ...................................................................................................... 35
7.4 GAS TURBINE ................................................................................................................................ 36
7.5 GAS ENGINE ................................................................................................................................. 36
7.6 ELECTRO DRIVE ............................................................................................................................ 37
7.7 STEAM DRIVE (COMBINED CYCLE)................................................................................................... 37
7.8 GAS COOLER ................................................................................................................................ 38
7.9 LOCAL PRESSURE LOSS ................................................................................................................. 38
8 CONTROLLED VALVES ........................................................................................................... 40
8.1 PREHEATING POWER ..................................................................................................................... 40
8.2 VALVES WITH CHARACTERISTIC ...................................................................................................... 40
8.2.1 Characteristic A (Mokveld) ........................................................................................................... 41
8.2.2 Characteristic B (Argus) ............................................................................................................... 42
8.3 LOCAL PRESSURE LOSS ................................................................................................................. 42
9 RESISTOR.................................................................................................................................. 44
10 STATE RECONSTRUCTION ..................................................................................................... 45
10.1 STATE RECONSTRUCTION IN SIMONE........................................................................................ 45
10.2 OUTLYING MEASURED DATA ...................................................................................................... 46
10.3 STATE RECONSTRUCTION PARAMETERS ..................................................................................... 47
10.4 TOOLS FOR SCANNING STATE RECONSTRUCTION ....................................................................... 47
10.5 METERING STATION ................................................................................................................... 48
11 STEADY-STATE OPTIMIZATION ............................................................................................. 49
11.1 OBJECTIVE FUNCTION................................................................................................................ 49
11.2 CONSTRAINTS ........................................................................................................................... 49
11.3 SIMONE METHOD OF STEADY-STATE OPTIMIZATION ................................................................. 49
12 HYDRATE FORMATION RISK ANALYSIS............................................................................... 51
12.1 EQUILIBRIUM CONDITION ............................................................................................................ 51
12.2 WATER DEW POINT .................................................................................................................... 51
12.2.1 Bukacek approximation .............................................................................................................. 52
12.3 HYDRATE EQUILIBRIUM .............................................................................................................. 52
12.3.1 Motiee approximation ................................................................................................................. 52
12.3.2 Carson-Katz method................................................................................................................... 53
12.3.3 Ponomarev approximation.......................................................................................................... 53
12.3.4 Remarks on accuracy and choice of models.............................................................................. 54
12.4 EFFECT OF INHIBITORS .............................................................................................................. 57
12.5 RISK INDICATORS ...................................................................................................................... 58
Introduction -5-
1 Introduction
This document outlines the basic equations and methods being used in SIMONE to model the
behavior of gas, flows, and equipment in a pipeline system.
© LIWACOM Informationstechnik GmbH

-6- Units
2 Units
2.1 Gauge pressure for low-pressure networks

For low-pressure networks the local pressure is expressed in terms of overpressure in the order of up
to 5 kPa. The effect of lower gas density with respect to air density (i.e. lift force) therefore leads to
non-negligible changes of local overpressure with elevation.
SIMONE calculates all pressures as absolute ones. For correct simulation of low-pressure systems
the local air pressure depending on node elevation is used for conversion between absolute and
gauge value of pressure. This is done by selecting the “kPah” pressure unit. This unit can be used for
displaying values as well as for input of pressure conditions or set points.
The conversion is based on the following equation
p l = p − p air (h )
Here
pl Local overpressure [kPah]
p Absolute gas pressure [kPa]
p air (h ) Local air pressure (absolute) [kPa]
depending on elevation
h Elevation [m]
The elevation change of air pressure is derived from the barometric equation using the definition of
International Standard Atmosphere:
 gh 
p air (h ) = p 0 ⋅ exp − 
 R T
air 0 
p 0 = 101.325 kPa is air pressure at sea level

t 0 = 15 oC is air temperature at sea level (used for the barometric equation)
T0 = t 0 + 273.15 K
Rair = 286.89 J.kg-1.K-1 is specific gas constant of air
g = 9.80665 m.s-2 is gravity acceleration
© SIMONE Research Group, s.r.o.

Flow equations -7-
3 Flow equations
The simulation of dynamic processes in gas transport and distribution is based on the non-linear
partial differential equations describing the dynamics – i.e. the continuity equation and the momentum
equation.
For a more sophisticated and detailed description of the heat dynamics processes running with the
gas flow, another partial differential equation must be linked to those mentioned above – see sections
5 and 6.
3.1 Continuity equation

∂m ∂ρ
+S =0
∂x ∂t
Here
m Mass flow rate [kg.s-1]
S Pipe cross section [m2]
ρ Gas density [kg.m-3]
x ‘Length’ coordinate [m]
t Time [s]
3.2 Momentum equation

1 ∂m ∂ρ ∂ρ ∂P dh
− 2w + w2 + + gρ + fR = 0
S ∂t ∂t ∂x ∂x dx
Here
p Pressure [Pa]
g Gravity acceleration [m.s-2]
Pressure loss due to friction
fR [Pa.m-1]
per unit of pipe length
h Geodetic height [m]
w Flow velocity [m.s-1]
t Time [s]
The unit hydraulic resistance in a pipeline with a circular cross section is described by the Darcy-
Weisbach equation
λ | w| w
fR = ρ
2D
Here
λ Friction factor [1]
D Pipe internal diameter [m]

-8- Flow equations
3.3 Friction factor

SIMONE is equipped with several formulae for the friction factor λ (being selected using the LAMBDA
scenario parameter):
• Hofer formula (default)
• Nikuradze formula
• PMT-1025 formula (Gazprom)
3.3.1 Hofer formula

The Hofer formula is an explicit approximation of the general Colebrook-White formula.
1
λ= 2
  4.518  Re  k 
 2 log log  +  
  7  3.71D  
  Re
Here
k Pipe equivalent roughness [m]
Re Reynolds number [1]
Reynolds number is defined by

D 4 M
Re = w =
v πµ D
Here
ν Gas kinematic viscosity [m2 s-1]
M Mass flow rate [kg.s-1]
µ Gas dynamic viscosity [kg m-1 s-1]
The value of dynamic viscosity for natural gas is approximately 10-5 kg.m-1.s-1.
3.3.2 Nikuradze formula

The Nikuradze formula, valid for high Reynolds numbers, has the form
1
λ= 2
  D 
 2 log  + 1.138 
 k 
It is easy to see that as Re → +∞ the Hofer formula is equal to Nikuradze.
3.3.3 PMT-1025 formula

0 .2
 158 2k 
λ = 0.067 + 
 Re D 
Here the equivalent pipe roughness is taken as constant ( k = 0.03 mm )

Flow equations -9-
3.3.4 Pipe efficiency
The pipe efficiency η pipe is usually introduced as correction factor to 1 λ in the momentum or
Darcy-Weisbach equations, i.e. the friction term becomes
λ | w| w
fR = ρ
η pipe
2
2D
There is a simple and straightforward link between flow rate and pipe efficiency for steady flow: If one
assumes a pipe efficiency of 0.99 instead of 1.00, the flow rate for constant pressure drop is also
reduced to 0.99 of its original value.
The pipe efficiency can be altered by setting the CORLAM scenario parameter for a subsystem or an
individual pipe element (the default value is 1).

Flow equations - 11 -
3.3.5 Comparison of Hofer and Nikuradze formulae

The following comparison of both formulae is presented to illustrate the differences between them and
their advantages and shortcomings.
In the fist picture, the line is calculated using the Hofer formula and the last point is calculated using
the Nikuradze formula (case Re → +∞ ):
Hofer - Nikuradze
0.05
D/k=60
0.04 120
250
0.03 500
λ
1000
0.02 2500
5000
0.01 10000
100000
0
1.00E+06 1.00E+07 1.00E+08 1.00E+09
Re

Flow equations - 13 -
Percentage differences between Hofer and Nikuradze formulae are depicted in the next figure:
Differences in λ , Hofer / Nikuradze
10
9
8
7 D/k=100000
6 10000
5
%
5000
4 2500
3 1000
2
500
1
0
1.00E+06 1.00E+07 1.00E+08 1.00E+09
Re
To get rough figures about flow rate and Reynolds number see the following graph (drawn for natural
gas of normal density 0.73 kg/m3, i.e., relative density 0.565):
Q[1000m3/h] Reynolds number / flow rate

100000
10000
D=1400 mm
1200 mm
1000 900 mm
500 mm
300 mm
100
10
1.00E+06 1.00E+07 1.00E+08 1.00E+09
Re
For D=1000 mm, k=0.01 mm, and a usual load of about 106 m3/h results Re=2.4×107 and therefore
the non-negligible difference between Hofer and Nikuradze can be seen!

Equation of state for real gas - 15 -
4 Equation of state for real gas

The equation of state for real gas is usually written in the form:
p = ρ RTz
Here
p Pressure [Pa]
R Gas constant [J.kg-1.K-1]
T Absolute temperature [K]
z Compressibility factor [1]
The gas constant is related to the molar weight or relative density (specific gravity) of the gas
~
R
R=
M
ρ0 z air , 0 Rair z air , 0 M
r= = =
ρ air , 0 z0 R z 0 M air
Here
~ Universal gas constant [J.kmol-1.K-1]
R
M Molar weight [kg.kmol-1]
r Gas relative density [1]
ρ Density [kg.m-3]
Subscript 0 Used for standard condition (101.325 kPa and 0, 15 or 20ºC)
Subscript air Used for air
The non-ideal behavior of the gas is expressed by the compressibility coefficient z . The
compressibility coefficient is a function of pressure, temperature and gas composition. The following
choices are available in SIMONE:
• 2-parametric equations of state:

z = z ( p r , Tr )
Here
p
pr = Dimensionless reduced pressure [1]
pc
T Dimensionless reduced
Tr = [1]
Tc temperature
N
p c = ∑ x i p c ,i Pseudo critical pressure of the gas
[Pa]
mixture
i =1
N
Tc = ∑ xi Tc ,i Pseudo critical temperature of the
[K]
gas mixture
i =1
x1 K x N Molar fractions of gas components [1]

pc ,i Critical pressure of component i [Pa]
Tc ,i Critical pressure of component i [K]
• 3-parametric equations of state:

- 16 - Equation of state for real gas
z = z ( p r , Tr , ω )
Here
N
ω = ∑ xiω i Acentric factor of gas mixture [1]
i =1
ωi Acentric factor of component i [1]
• General equation of state:

z = z ( p, T , x1 K x N )
Using more complex mixing rules than the above mentioned.
The following equations of state are currently available in SIMONE (being selected by the ZET
scenario parameter):
• AGA formula
• Papay formula (default)
• Redlich-Kwong equation
• BWR in simplified form (Fasold et al.)
• BWR
• AGA8 DC92 (ISO 12213-2)
4.1 AGA (American Gas Association)

pr
z = 1 + 0.257 p r − 0.533
Tr
For natural gases, this relationship is adequate for pressures up to 70 bars.
4.2 Papay formula
z = 1 − 3.52 p r exp(− 2.260Tr ) + 0.274 p r2 exp(− 1.878Tr )
For natural gases, this relationship is adequate for pressures up to 150 bars.
4.3 Redlich-Kwong equation

Redlich-Kwong equation of state is usually written in the following form
~
RT a
p= ~ − ~ ~
V −b T V (V + b)
Here
p Pressure [Pa]
T Temperature [K]
~ Universal gas constant [J.mol-1.K-1]
R
~ Molar volume of gas [m3.mol-1]
V
~
R 2Tc2.5
a = Ωa
pc

~
R Tc
b = Ωb
pc
1
Ωa =
9 2 −1
1/ 3
( )
2 1/ 3
−1
Ωa =
3
Stands for pseudo
c critical values of gas
mixture
For pure gases, the Redlich-Kwong equation is the most precise 2-constant equation of state.
Redlich-Kwong equation is currently used in simplified form with the simple definition of pseudo critical
pressure and temperature:
N
p c = ∑ x i p c ,i
i =1
N
Tc = ∑ xi Tc ,i
i =1
In such a case, the Redlich-Kwong equation is used as 2-parametric equation of the

form z = z ( p r , Tr ) .
The precise more complex mixing rules or other modifications of Redlich-Kwong equation can be
implemented if required..
4.4 BWR equation

The Benedict-Webb-Rubin equation of state is usually written in the following form (and traditional
physical units!)
cρ~ 3
~  ~ C  ~
( ) (
p = R Tρ~ +  B0 R T − A0 − 0  ρ~ 2 − bR T − a ρ~ 3 + aαρ~ 6 + 2 1 + γρ~ 2 exp − γρ~ 2
T  T
) ( )

Here
p Pressure [atm]
T Temperature [K]
~ Universal gas constant [atm.dm3 mol-1.K-1]
R
ρ~ Molar density of gas [mol.dm-3]
A0 , B0 , C 0 , BWR equation constants
(traditional units)
a , b , c ,α , γ
4.4.1 Simple fluid approach

Following Fasold et al., the constants for BWR equation for natural gases can be linked to three
parameters of the gas mixture:

~
Tc2 R 2
A0 = A0′ A0′ = −0.06000000α c + 0.6900000
pc
~
Tc R
B0 = B0′ B0′ = 0.00797872α c + 0.0781383
pc
~
Tc4 R 2
C 0 = C 0′ C 0′ = 0.02000000α c + 0.0340000
pc
~
Tc3 R 3
a = a′ 2 a ′ = 0.04083330α c − 0.2128330
pc
~
Tc2 R 2
b = b′ a ′ = 0.01700000α c − 0.0706000
p c2
~
Tc5 R 3
c = c′ 2 a ′ = 0.02400000α c − 0.0980000
pc
~
Tc3 R 3
α =α′ 3 α ′ = −0.00183333α c + 0.0138333
pc
~
Tc2 R 2
γ =γ′ 2 γ ′ = −0.01400000α c + 0.1332000
pc
N
p c = ∑ x i p c ,i Pseudo critical pressure of gas mixture [atm]
i =1
N
Tc = ∑ xi Tc ,i Pseudo critical temperature of gas mixture [K]
i =1
N
α c = ∑ x iα c , i Critical Riedel factor for gas mixture [1]
i =1
α c,i Critical Riedel factor for component i
x1 K x N Molar fractions of gas components
The Critical Riedel factor is calculated using the acentric factor by equation of Edmister
α c = 5.7839 + 4.8763ω

As a result, this simplification leads to 3-parametric equation of the form z = z ( p r , Tr , ω ) .
4.4.2 Full mixing rules

The general mixing rules for BWR equation of state are
2
 N 
A0 =  ∑ xi A0,i 
 i =1 
N
B0 = ∑ xi B0,i
i =1
2
 N 
C 0 =  ∑ x i C 0 ,i 
 i =1 
3
 N 
a =  ∑ xi 3 ai 
 i =1 
3
 N 
b =  ∑ xi 3 bi 
 i =1 
3
 N 
c =  ∑ xi 3 ci 
 i =1 
3
 N 
α =  ∑ xi 3 α i 
 i =1 
2
 N 
γ =  ∑ xi γ i 
 i =1 
Here
x1 K x N Molar fractions of gas components [1]
Subscript i Stands for BWR equation constants for component i
The constants of the BWR equation for the basic 21 gas components listed in ISO 12213 are
predefined in SIMONE. The user has the possibility to add new gas components and enter the
constants for it.
4.5 AGA8 DC92 equation

The expansion of the compressibility factor according to AGA8 DC92 (ISO 12213-2) equation is
( ) ( )
18 58
z = 1 + Bρ~ − ρ r ∑ C n∗ + ∑ C n∗ bn − c n k n ρ rkn ρ rbn exp − c n ρ rkn
n =13 n =13
Here
B Second virial coefficient (function of [dm3.mol-1]

temperature and composition)

ρ~ Molar gas density [mol.dm-3]
ρr Dimensionless reduced density [1]
bn , c n , k n Constants [1]
Coefficients dependent on
C n∗ temperature and composition
[1]
The reduced density is related to molar density by the equation

ρ r = K 3 ρ~
Here
K3 Mixture size parameter [dm3.mol-1]
(function of composition)
The procedure for calculation of composition and temperature-dependent coefficients is rather

complicated. For further details please refer to ISO 12213-2.
4.6 Thermodynamic properties of real gas

All important thermodynamic properties of a gas can be derived from the equation of state, namely
• Specific heat
• Isentropic exponent
• Joule-Thomson coefficient
4.6.1 Specific heat

The Molar gas specific heat of real gas is calculated by
c~p = c~p0 (T ) + ∆c~p ( p, T , x1 , K , x N )
Here
c~p Molar specific heat (for [J.mol-1.K-1]
constant pressure)
c~p0 (T ) Molar specific heat of [J.mol-1.K-1]
ideal gas
∆c~p ( p, T , x1 , K , x N ) Correction to real gas [J.mol-1.K-1]
behavior
Specific heat per unit of mass is then

c~p
cp =
M
cp Specific heat of real gas [J.kg-1.K-1]
M Molar weight of gas [kg.mol-1]
The ideal gas specific heat is a function of temperature and in SIMONE is approximated by a second-
order parabola:
c~p0 (T ) = A + B ⋅ T + C ⋅ T 2
For a gas mixture the coefficients are simply mixed from pure component values

 A  N  Ai 
   
 B  = ∑ xi  Bi 
 C  i =1  C 
   i
Here
x1 K x N Molar fractions of gas components
Subscript i Stands for mixture component i
The real gas correction can be expressed by the equation
~   ∂z   dp
p
2 ∂ z 
2
~
∆c p = − R ∫ 2T   + T  2  

  ∂T  p
0   ∂T  p  p
Here
R
4.6.2 Isentropic exponent

The isentropic exponent κ is defined by relations
~
~κ V  ∂p 
pV = const. or κ = −  ~ 
p  ∂V  S
and can be calculated by the formula
z
κ= ~
R
Z p − ~ Z T2
cp
Here
p Pressure [Pa]
~ Molar volume [m3.mol-1]
V
S Entropy [J.mol-1.K-1]
 ∂z  Dimensionless derivative of [1]
Z p = z − p  compressibility factor
 ∂p  T , x1Kx N
ZT = z + T   compressibility factor
 ∂T  p , x1Kx N
R
c~
p
Molar specific heat of real [J.mol-1.K-1]
gas (for constant pressure)
4.6.3 Joule-Thomson coefficient

The (differential) Joule-Thomson coefficient is defined as
 ∂T 
µ JT =  
 ∂p  H
and can be calculated from the equation

~
T R
µ JT = (Z T − z )
p c~p
Here
µ JT Joule-Thomson coefficient [K.Pa-1]
p Pressure [Pa]
T Temperature [K]
H Enthalpy [J.mol-1.K-1]
ZT = z + T   compressibility factor
 ∂T  p , x1Kx N
R
c~p
Molar specific heat of real [J.mol-1.K-1]
gas (for constant pressure)
The integral Joule-Thomson effect, i.e. the temperature change caused by pressure drop during the
isenthalpic process, can be described by the initial-value problem
T ( p1 ) = T1
dT
= µ JT ( p, T )
dp
T2 = T ( p 2 )
Here
p1 Starting pressure [Pa]
T1 Starting temperature [K]
p2 Final pressure [Pa]
T ( p) Solution of the initial-value problem
T2 Final temperature [K]
4.7 Calculation of gas properties using gas composition

In gas transport & distribution, volumetric quantities and units are widely used:
• Flow rates and line pack are expressed in standard volumetric units (defined for standard
condition – e.g. a pressure of 101.325 kPa and temperature typically 0, 15 or 20ºC)
• Volumetric heating value – per unit volume in standard condition; thermal billing is based on
volumetric flow rate and volumetric heating value
• Relative density is used to convert volume of gas to mass.
• The composition of gas can be expressed in volumetric fractions (defined for standard
condition) rather than in molar or mass fractions.
On the other hand, all equations mentioned above (flow equation, equations of state) are based on
mass or molar quantities.
SIMONE supports the conversion of molar quantities to volumetric ones and vice versa using formulae
that are consistent, whenever possible, with the ISO 6976 norm.

4.7.1 Calculation of relative density and volumetric heating value

using gas composition
Gas relative density r is related to gas molar mass M
z air , 0 M
r=
z 0 M air
Here
z air ,0 Compressibility factor of air at standard condition [1]
z air ( p0 , 0°C ) = 0.99941
z air ( p0 , 15°C ) = 0.99958
z air ( p0 , 20°C ) = 0.99963
p0 = 101.325 kPa
M air Molar weight of air [kg.kmol-1]
M air = 28.9626 kg.kmol-1
z0 Compressibility factor of gas at standard condition [1]
M Molar mass of gas mixture [kg.kmol-1]
N
M = ∑ xi M i
i =1
xi Molar fractions of mixture components [1]

Mi Molar weights of mixture components [kg.kmol-1]
The Molar gas heating value is the amount of heat released by burning 1 kmol of gas at constant
pressure p0 = 101.325 kPa while the temperature of gas and air before combustion and the
temperature of the combustion products are the same:
~
H U [TH ] [MJ.kmol-1]
TH Temperature of combustion products (0, 15, 20 or 25oC)
SIMONE uses the upper (superior) heating value (i.e. all water in combustion products is assumed to
condense) at the temperature TH = 25°C .
The molar heating value for a gas mixture is given by the simple weighted sum of molar heating
values of individual mixture components:
N
~ ~
H U = ∑ xi H U ,i
i =1
The volumetric heating value is the amount of heat released by burning 1 m3 std. of gas at constant
pressure p0 = 101.325 kPa (while the temperature of gas and air before combustion and the
temperature of combustion products are the same):
H U = H U [TH , T0 ] [MJ/m3 std.]

T0 Temperature at standard condition (typically 0, 15 or 20ºC) used to define 1 m3
std.
The relation of molar and volumetric heating value is given by the formula

~
H U [TH ] p0
H U [TH , T0 ] = ~
z 0 R T0
For the above listed conversion formulae, the compressibility factor of gas at standard condition z 0 is
necessary.
For known composition of gas mixture, the compressibility factor at standard condition can be
calculated by the ISO 6976 formula
2
 N 
z 0 = 1 −  ∑ xi bi 
 i =1 
bi Summation factor for component i [1]
~
The data for individual components (heating values H U ,i ; summation factors bi for 0, 15 and 20ºC)
are taken from ISO 6976:1995(E), Table 1-3.
4.7.2 Conversion of molar to volumetric fractions and vice versa

Volumetric fractions yi are defined for standard condition p0 = 101.325 kPa , T0 (typically 0, 15 or
20ºC). The conversion formulae are
yi
z 0 ,i
xi = N , i = 1, K , N
yj
∑z
j =1 0, j
x i z 0 ,i
yi = N
, i = 1, K , N
∑x
j =1
j z 0, j
Here
z 0,i Compressibility factor of component i at standard condition [1]
The values of z 0,i are taken from ISO 6976:1995(E), Table 2.

Quality Tracking - 25 -
5 Quality Tracking
To describe the dynamics of particular components of a gas mixture within the pipeline system in an
exact way, the mathematical model must contain the mass balance equation for each component:
∂ mci ∂ρci
+S = 0, i = 1K N
∂x ∂t
Here
ci K c NMass fractions of gas components [1]
x Lengths coordinate [m]
t Time [s]
The momentum equation remains untouched.
5.1 Solution procedure

The number of the above mentioned additional partial differential equations would complicate the
solution essentially. Therefore, an approximate solution has been adopted, based on the following
presumptions:
• The quality signal is discrete, i.e., its value is known only for the discrete time of sampling and
no information exists within the sampling period;
• Neither the time step of sampling need not be equal nor to the time step of calculation nor to
the sampling period of other variables.
The value of the sample of a quality parameter is related to an infinitesimal volume of gas just present
at the sampling time in the place of sampling – called a quality flag. The quality flag is characterized by
its position and by a set of values corresponding to the respective tracked quality parameters.
The quality tracking is then formulated as the task to
• Follow the movement of all quality flags entering the network in the supply points until they
leave the system.
• Simulate the mixing of quality values in all nodes of a network to which more than one gas
stream is linked to.
•
The moving of quality flags is simulated by a two steps procedure:
1. In each time step of simulation or state reconstruction, all the state variables for each pipe
element are calculated. Being the calculation finished, the speed of flow is used by the quality
tracking procedure to calculate the new positions of all quality flags, the mixing of quality
parameters in the crossings of the network, and the interpolated quality values in nodes.
2. As some parameters of the simulation model itself depend on the gas parameters, (gas
composition, relative density, heating value, critical temperature and critical pressure etc.), all
these values are used in the next step of simulation to calculate the new values of
corresponding coefficients.
5.2 Quality parameters

The quality parameters are generally divided into three groups:
1. Gas physical properties
• Gas relative density
• Gas volumetric heating value
• Pseudocritical temperature of gas mixture
• Pseudocritical pressure of gas mixture
• Acentric factor of gas mixture

- 26 - Quality Tracking
• Three coefficients of ideal gas specific heat temperature expansion

2. User-defined parameters
• Any user-defined property of gas (per 1 m3 std. of gas)
3. Gas composition
• Molar fractions of gas components
Such partitioning corresponds to the quality tracking options being set for the individual network in the
network editor. The available options are:
• Uniform quality distribution – the network is filled by gas of one composition only.
• Gas properties tracking – various gases at individual supplies can enter the pipeline network.
To describe the gas behavior, only the set of gas physical properties is used and tracked over
the network. This implies that only 2- or 3-parametric equations of state can be used.
• Gas composition tracking – various gases at individual supplies can enter the pipeline network
and both gas physical properties and gas composition are tracked over the network.
5.3 Mixing rules

Let us consider the mixing of k streams of gas in one node:
(1)
(2)
(k)
The mixing of different gas streams is described by the following balance equations:
• Mass balance:
k
m = ∑ m( j)
j =1
• Molar balance (consider no chemical reactions):
m k
m( j)
= ∑ ( j)
M j =1 M
Here
m Mass flux [kg.s-1]
M Gas molar weight [kg.kmol-1]
Superscript ( j ) Gas stream j
Therefore the mixing rule for all gas quality parameters can be written in a compact form:

Quality Tracking - 27 -
M   M ( j) 
~  ~ 
 HU   H U( j ) 
   ( j) 
 Tc   Tc 
   ( j) 
 pc   pc 
ω  ω j ) 
   
A  1 k
m ( j )  A( j ) 
  = k m( j ) ∑
j =1 M
( j)  ( j) 
 B  ∑ ( j) B 
 C  j =1 M  C ( j) 
   
 x1   x1( j ) 
   
M  M 
x   x( j) 
 N   N 
ψ~  ψ~ ( j ) 
   
Here
M Molar mass of gas [kg.kmol-1]
~
HU Molar heating value of gas [MJ.kmol-1]
Tc Pseudo critical pressure of gas [K]
pc Pseudo critical temperature of gas [bar]
ω Acentric factor of gas [1]
A, B, C Coefficients of ideal gas specific heat expansion c~p0 (T ) = A + B ⋅ T + C ⋅ T 2
xi Molar fractions of mixture components [1]
ψ~ Any (user-defined) parameter per 1 kmol of gas [x.kmol-1]

- 28 - Heat Dynamics
6 Heat Dynamics
In the standard SIMONE package, heat dynamics are respected by calculating the temperature
changes in a pipeline behind a compressor station or pressure reducer using a fixed exponential
model. The temperature of each node can be entered individually for a particular time period.
In most situations, this concept is quite satisfactory. Nevertheless, there are occasions when the
description of heat dynamics is required – pipe sections downstream of compressor stations,
underwater lines, and long sections with high-pressure drop. In all of these cases, the omission of heat
balance results in a loss of accuracy.
Therefore the heat dynamics model is available in SIMONE.
6.1 Differential Equations

Heat dynamics consists of two components:
• Heat transients in the gas resulting from the Joule-Thompson effect –”longitudinal” dynamics.
• Heat transients resulting from the heat exchange between the flowing gas and the surrounding
tube together with its further environment –”axial” dynamics.
The following form of energy equation is used in SIMONE:
 ∂T ∂T   T  ∂ z   ∂ p T ∂ z ∂ p dh
S ρ cP  + w  − S 1 +   − Sw   + Swgρ + QE = 0
 ∂t ∂x   z  ∂ T  p  ∂t

z  ∂T  p ∂ x dx
Here
cp Gas specific heat [J.kg-1.K-1]
T Gas temperature [K]

t Time [s]
p Pressure [Pa]
g Gravity acceleration [m.s-2]
h Geodetic height [m]
QE Heat flux from gas through [J.s-1.m-1]
the inner surface of the pipe
to the surrounding soil per
unit of length
The description of the heat flux Q E should describe the effect of the heat capacity of the pipe-
surrounding soil, e.g. if a gas that is cooler than the near soil enters the pipe, a heat flux back from soil
to gas occurs (until the near soil is cooled) and should be modeled properly.
The character of the dynamic processes in the pipe and the surrounding soil is „stiff” – it consists of a
quick component corresponding to the near soil and a very slow one corresponding to the remote
mass of soil. Therefore the process needs to be modeled by a minimum of two capacitors with
substantially different time constants:
d Ts1
C1 = α 1(T − Ts1 ) − α 2 (Ts1 − Ts 2 )
dT
dT
C 2 s 2 = α 2 (Ts1 − Ts 2 )− α 3 (Ts 2 − Tsoil )
dT

Heat Dynamics - 29 -
Here
Ts1 Near soil temperature at the surface of first layer (capacitor) [K]
Ts 2 Near soil temperature at the surface of second layer (capacitor) [K]
Tsoil Far soil temperature being not influenced by temperature changes of gas; this [K]
value is referred in SIMONE scenario as Ground Temperature (GT)
C1 Heat capacity of first layer (per unit of pipe length) [J.m-1.K-1]
C2 Heat capacity of second layer (per unit of pipe length) [J.m-1.K-1]
α1 Heat transfer coefficient through first layer (per unit of pipe length) [J.m-1.K-1.s-1]
α2 Heat transfer coefficient through second layer (per unit of pipe length) [J.m-1.K-1.s-1]
α3 Heat transfer coefficient between the surface of second layer and the surface [J.m-1.K-1.s-1]
of constant far soil (per unit of pipe length)
The heat flux Q E is then given by the first right-hand side term in the equation for the first layer
temperature:
QE = α 1(T − Ts1 )
The steady-state solution of axial heat dynamic leads to the formula

QE = πDk (T − Tsoil )
Here
D Internal pipe diameter [m]
k Heat transfer coefficient between gas and far soil (per unit of internal pipe [J.m-2.K-1.s-1]
surface); this value is referred to in a SIMONE scenario as Heat Transfer
Coefficient (HTC)
SIMONE allows both models of axial heat dynamic to be used within scenarios:
• SIMPLE – only the steady-state heat flux between pipe and soil is used. This model is for use
in steady-state scenarios.
• FULL – the full axial dynamic is respected. However, the initial condition need to be carefully
prepared – the initial gas temperature distribution should correspond to a steady-state profile
in order to reasonably initialize the axial model.
6.2 Heat Transfer Coefficient in SIMONE

In the following paragraph, the basic recommendations for the value of the heat transfer coefficient are
summarized.
The heat flow between gas and surrounding environment (in a steady-state situation) is described in
SIMONE by the equation
QE = πD HTC (T − Tsoil )
Here
QE Heat flux from gas through the inner surface [J.s-1.m-1]
of pipe to the surrounding soil per unit of
length
D Internal pipe diameter [m]
HTC Heat transfer coefficient between gas and [J.m-2.K-1.s-1]
far soil (per unit of internal pipe surface); this
value is referred to in a SIMONE scenario as
Heat Transfer Coefficient (HTC)
Tsoil Soil temperature being not influenced by [K]
temperature changes of gas; this value is

- 30 - Heat Dynamics
referred to in a SIMONE scenario as Ground

Temperature (GT)
Let us suppose a cylindrical model of n layers of different materials where the last layer has a
constant temperature equal to Tsoil . The heat flow between gas and surrounding environment is then
described as
2π
QE = (T − Tsoil )
n
1 D
∑
i =1 λi
ln i +1
Di
Here
Di Diameter of layer i , for i = 1 it is internal diameter of tube [m]
λi Heat conductivity of the material in the layer between Di and Di +1 [W.m-1.K-1]
Comparing both equations one obtains the equation for the Heat Transfer Coefficient
2
HTC = n
1 Di +1
D1 ∑ ln
i =1 λi Di
Due to the high conductivity and small thickness of the pipe wall the layer of pipe itself can be
neglected. A typical situation can be represented by two layers, bitumen and clay. Because λ for
bitumen is roughly the same as for wet clay only one layer is sufficient and the equation for HTC can
be rearranged as
2λ
HTC =
 2ξ 
D ln1 + 
 D
Here
ξ Thickness of the clay layer; at the outer surface of clay the temperature is assumed to be [m]
equal to Tsoil
To show how the thickness of the clay layer ξ and pipe diameter D influence the relation between
HTC and λ see the following picture. The typical values for λ are summarized below:
Material λ [W.m-1.K-1]
Concrete 1.28 – 1.5
Dry clay 0.14
Wet clay 0.65
Bitumen 0.6

Heat Dynamics - 31 -
HTC/lambda
clay thickness 500 mm clay thickness 1000 mm
5
HTC/lambda
0
200 400 600 800 1000 1200 1400
Diameter [mm]
6.3 Suppressing the Joule-Thomson effect for pipes

A user requirement to suppress the Joule-Thomson effect in the longitudinal temperature profile has
been met. Therefore the heat dynamics model in SIMONE has been adapted to support this
requirement, if it is stated explicitly in the scenario using the JTEP parameter.
If one rearranges the energy equation to point out the Joule-Thomson coefficient
 ∂T ∂T  ∂p ∂p
+ w  − S (1 + ρ c p µ JT )
dh
S ρ cP  − Swρ c p µ JT + Swgρ + QE = 0
 ∂t ∂x  ∂t ∂x dx
then neglecting the Joule-Thomson effect leads to
 ∂T ∂T  ∂p dh
S ρ cP  +w −S + Swgρ + QE = 0
 ∂t ∂x  ∂t dx

- 32 - Compressor Stations
7 Compressor Stations
7.1 Basic thermodynamics relations
7.1.1 Pressure ratio

p0
ε=
pi
Here
ε Pressure ratio [1]
pi Inlet (suction) pressure [Pa]
po Outlet (discharge) pressure [Pa]
7.1.2 Adiabatic head
κ  κκ−1 
H ad = RTi z i  ε − 1
κ −1  
Here
H ad Adiabatic head [kJ.kg-1]
κ Isentropic exponent (mean value) [1]
Ti Inlet gas temperature [K]
z i = z ( pi , Ti ) Compressibility factor at inlet condition [1]
7.1.3 Adiabatic efficiency

H ad
η ad =
Ho − Hi
Here
η ad Adiabatic efficiency [1]
Hi Gas enthalpy at inlet condition [kJ.kg-1]
Ho Gas enthalpy at outlet condition [kJ.kg-1]
7.1.4 Shaft power

H ad
P = m(H o − H i ) = m
η ad

Compressor Stations - 33 -
Here
Hi Gas enthalpy at inlet condition [kJ.kg-1]
Ho Gas enthalpy at outlet condition [kJ.kg-1]
7.1.5 Discharge temperature

The calculation of discharge temperature consists of two steps:
1. Compute the temperature change due to compression of ideal gas. The formula is selected
using the THETAEQ (Theta equation) scenario parameter:
• Basic (default) equation taking into account
κ −1
κη ad
Tx = Ti ε
• RG1991 (Fasold et al)
 κκ−1 
 ε −1 
Tx = Ti +1
 η 
 ad 
 
• Isentropic equation
κ −1
Tx = Ti ε κ
2. The temperature Tx obtained in previous step is corrected to the real gas behavior using
formula selected by the THETACOR (Theta correction) scenario parameter:
• Basic (default)
zi
To = Tx
z ( p o , Tx )
• RG1991 – iterate To starting form Tx (Fasold et al)
zi
To = Tx
z ( p o , To )
• No correction
To = Tx
Here
κ Isentropic exponent (mean value) [1]
Tx Ideal gas outlet temperature after compression [K]
To Outlet gas temperature [K]

7.1.6 Isentropic exponent

The mean value of the isentropic exponent is calculated using one of three methods according to the
KAPPA (Isentropic exponent calculation) scenario parameter:
1. Constant (default) – the isentropic exponent is assumed to be constant and equal to the value
being set in topoeditor
2. RG Equation – a temperature-dependent relation is used
k (T ) = 1.290 − 5.8824 × 10 −4 (T − 273.15)
Here
Ti + To
T= Mean gas temperature during compression [K]
2
3. Equation of state – the isentropic exponent is calculated from the currently used equation of
state
z
κ=
R
Z p − Z T2
cp
Here
 ∂z 
Z p = z − p  Dimensionless derivative of compressibility factor [1]
 ∂p  T , x1Kx N
 ∂z 
ZT = z + T   Dimensionless derivative of compressibility factor [1]
 ∂T  p , x1Kx N
cp Real gas specific heat (for constant pressure) [J.kg-1.K-1]
The mean value of isentropic exponent is used:

κi +κo
κ=
2
7.1.7 Volumetric flow rate

m RTi z i
Qvol ,i = =m
ρi pi
Here
Qvol ,i Volumetric flow rate at inlet condition [m3.s-1]
ρi Gas density at inlet condition [kg.m-3]
zi Compressibility factor at inlet condition [1]

7.2 Centrifugal compressor

SIMONE uses the working envelope (wheel map) of a centrifugal compressor in the coordinates inlet
volumetric flow rate Qvol .i – adiabatic head H ad .
The envelope is approximated by a set of curves expressing the adiabatic head and the adiabatic
efficiency as biquadratic polynomials in compressor speed and volumetric flow rate:
 a1 a4 a7  1 
  
H ad (
= 1 n n  a2 2
) a5 a8  Qvol ,i 
a
 3 a6 a9  Qvol
2 
,i 
 b1 b4 b7  1 
  
η ad (
= 1 n n  b2 2
) b5 b8  Qvol ,i 
b
 3 b6 b9  Qvol
2 
,i 
Here
n Compressor revolutions (speed in r.p.m.) [min-1]
a1 K a9 , b1 Kb9 Coefficients
7.3 Reciprocating compressor

The working envelope of a reciprocating compressor is drawn in the coordinates inlet volumetric flow
Qvol .i – shaft torque momentum M T .
The inlet volumetric flow rate corresponds to compressor speed
n
Qvol .i = VW
60
Here
VW Working volume of compressor (per 1 shaft revolution) [m3]
n Revolutions [min-1]
The torque momentum corresponds to shaft power

n
PS = 2π MT
60
Here
PS Shaft power [kW]
n Revolutions [min-1]
MT Torque momentum [kNm]
Combining the above equations with the general formula for compressor shaft power, one obtains the
relation between adiabatic head and torque momentum:

VW
MT = H ad ρ i
2πη ad
Here
VW Working volume of compressor (per 1 shaft revolution) [m3]
η ad Adiabatic efficiency (assumed constant within the whole [1]
operation range of reciprocating compressor)
ρi Gas density at inlet condition [kg.m-3]
7.4 Gas turbine

A gas turbine is described by two graphs:
1. Turbine maximum performance as a function of compressor speed and ambient temperature,

approximated by a biquadratic polynomial:
 c1 c4 c 7  1 
  
Pmax (
= 1 n n  c2 2
) c5 c8  t amb 
c c6 c9  t amb
2 
 3 
Here
Pmax Maximum turbine performance [kW]
n Revolutions (speed in r.p.m.) – turbine output or [min-1]
compressor shaft revolutions
t amb Ambient temperature [ºC]
c1 K c9 Coefficients
2. Fuel gas consumption as a function of shaft power, approximated by a parabola:

PF = d1 + d 2 PS + d 3 PS2
Here
PF Fuel gas consumption in energy units [kWh.h-1]
PS Turbine performance [kW]
d1 K d 3 Coefficients
7.5 Gas engine

Gas engine is described by two curves:
1. Shaft performance as a function of speed, approximated by parabola:

Pmax = c1 + c 2 n + c3 n 2
Here
Pmax Maximum engine performance [kW]
n Engine revolutions (speed in r.p.m.) [min-1]
c1 K c3 Coefficients

2. Fuel gas consumption as a function of shaft power, approximated by parabola:

PF = d1 + d 2 PS + d 3 PS2
Here
PF Fuel gas consumption in energy units [kWh.h-1]
PE Engine performance [kW]
n Engine revolutions (speed in r.p.m.) [min-1]
7.6 Electro drive

The electro drive is described by two characteristics:
1. Shaft performance curve:

a. For asynchronous drives and drives with continuous speed control the maximum shaft
performance is a function of speed (r.p.m.) and ambient temperature (influence of
cooling), described in similar way as that for gas turbines:
 c1 c4 c 7  1 
  
Pmax (
= 1 n n 2  c2 ) c5 c8  t amb 
c c6 c9  t amb
2 
 3 
Here
Pmax Maximum drive performance [kW]
n Drive revolutions (speed in r.p.m.) [min-1]
t amb Ambient temperature [ºC]
c1 K c9
Coefficients
b. For synchronous drives the maximum shaft power is a function of revolutions,
described in similar way as that for gas engines:
Pmax = c1 + c 2 n + c3 n 2
Here
PmaxMaximum drive performance [kW]
n Drive revolutions (speed in r.p.m.) [min-1]
c1 K c3
Coefficients
2. The energy consumption curve is a function of shaft power:
PE = d1 + d 2 PS + d 3 PS2
PE Energy consumption [kW]
PS Drive performance [kW]
7.7 Steam drive (combined cycle)

For modeling of combined-cycle drives (primary gas turbine, steam boiler utilizing exhaust heat and
secondary steam turbine) the correlation of total energy consumption of primary turbines and shaft
power of secondary turbine is used:
FFP = a1 + a 2 PSS + a3 PSS2 or PSS = b1 + b2 FFP + b3 FFP

2

Here
FFP Fuel gas consumption of primary gas turbine (sum for [kWh.h-1]
all primary turbines) in energy units
PSS Shaft power of secondary steam turbine [kW]
a1 K a3 , b1 Kb3 Coefficients
To prevent on/off cycling, the combined cycle can be

• Started only if the fuel gas consumption of a primary turbines is sufficiently high
FFP > FFP , start
• Stopped only if the fuel gas consumption is lower than a prescribed switch-off limit
FFP < FFP , stop < FFT , start
7.8 Gas cooler

The gas cooler is described by an approximate characteristic equation
 k
To = Tc ,i + (Ti − Tc ,i )exp − 
 m
Here
Ti Gas temperature at cooler inlet [K]
To Gas temperature at cooler outlet [K]
Tc ,i Coolant inlet temperature
m Gas mass flow rate [kg.s-1]
k Constant coefficient [kg.s-1]
7.9 Local pressure loss

For the compressor station, the pressure loss in inlet and outlet parts of the piping yard of the
compressor station can be modeled. In addition, the local pressure drop between stages can be taken
into account.
The local pressure loss is calculated using the local pressure loss coefficient
1
pi − p o = ξρ i wi2
2
Here
pi Pressure at resistor inlet [Pa]
po Pressure at resistor outlet [Pa]
ξ Pressure loss coefficient [1]
ρi Gas density at resistor inlet [kg.m-3]
wi Velocity at resistor inlet [m.s-1]
The gas velocity is calculated using the representative internal diameter of the compressor station D ,
entered in network element data:
4m
wi =
πD 2 ρ i

Here
m Mass flow rate through element [kg.s-1]
D Element diameter [m]

- 40 - Controlled valves
8 Controlled valves
8.1 Preheating power

Due to the Joule-Thomson effect, the pressure drop in a control valve is accompanied by a
temperature drop. To avoid dangerously low temperatures at the outlet of a controlled valve, the gas is
being preheated before it enters the valve.
The temperature drop is calculated from integral Joule-Thomson effect:
T ( pi ) = Ti
dT
= µ JT ( p, T )
dp
To = T ( p o )
Here
pi Inlet pressure [Pa]
Ti Inlet temperature [K]
po Outlet pressure [Pa]
µ JT Joule-Thomson coefficient [K.bar-1]
T ( p ) Solution of the initial-value problem
To Outlet temperature [K]
The preheating power is calculated from the formula
c p ( p1,T 1 ) + c p ( p 2 ,T 2 )
P = m(T2 − T1 )
2
Here
P Preheating power [kW]
m Mass flow rate of gas [kg.s-1]
cp Gas specific heat [kJ.kg-1.K-1]
p Pressure [Pa]
T Temperature [K]
Subscript 1 Exchanger inlet condition
Subscript 2 Exchanger outlet condition
8.2 Valves with characteristic

The valve in an intermediate position can be modeled as a controlled valve element with particular
mode and setpoint equal to the opening percentage (using the SCVO scenario parameter).
The flow rate through the valve in an intermediate position is a function of inlet pressure, outlet
pressure and the position of the valve. The valve position is expressed by opening percentage (closed
0% and fully open 100%). An equation individual for each valve producer & type describes this
function:
m = m( pi , p o , o,K)

Controlled valves - 41 -
Here

o Opening percentage, o ∈ 0,100 ; 0=closed; 100=fully open [1]
K Stands for other parameters, namely gas quality (relative density)
and inlet temperature
Two such formulae are currently implemented in SIMONE.
8.2.1 Characteristic A (Mokveld)

The flow rate through valve is given by the formulae
V0 = CV 0 CVR
(
241F1 p1 Y − 0.148Y 3 )
rT1 z1
 1.63 p1 − p 2 
Y = min1.5; 

 F1 p1 
Here
V0 Volumetric flow rate at standard condition (101.325 kPa and 0ºC) [m3.h-1]
CV 0 Sizing coefficient [-]
o Opening percentage, o ∈ 0,100 [1]
CVR (o ) Characteristic coefficient depending on opening percentage [1]
CVR (0) = 0 ; CVR (100) = 1
F1 (o ) Characteristic coefficient depending on opening percentage [1]
F1 (0 ) = 1 ; F1 decreasing function
p1 Inlet pressure (absolute) [bar]
p2 Outlet pressure (absolute) [bar]
T1 Inlet gas temperature [K]
z1 Compressibility factor at inlet condition [1]
The valve behavior is therefore described by the sizing coefficient CV 0 and the functions CVR (o ) ,
F1 (o ) (being defined by table values).

- 42 - Controlled valves
8.2.2 Characteristic B (Argus)

The flow rate through the valve is given by the formulae
• For sub critical flow

p1
<2
p2
Q0 ρ 0T1
K VS K VR (o ) =
514 ( p1 − p 2 ) p 2
• For supercritical flow
p1
≥2
p2
Q0
K VS K VR (o ) = ρ 0T1
257 p1
Here
K VS Sizing coefficient [m3.h-1]
o Opening percentage, o ∈ 0,100 [1]
K VR (o ) Function of opening percentage [1]
K VR (0) = 0 ; K VR (100 ) = 1
Q0 Volumetric flow rate at standard condition (101.325 kPa and [m3.h-1]
0ºC)
p1 Inlet pressure (absolute) [bar]
p2 Outlet pressure (absolute) [bar]
T1 Inlet gas temperature [K]
ρ0 Gas density at standard conditions (101.325 kPa, 0ºC) [kg.m-3]
The valve behavior is therefore described by the sizing coefficient K VS and function K VR (o ) (being
defined by table values).
8.3 Local pressure loss

For the control valve element, the pressure loss in inlet and outlet parts of the piping yard of the
control valve station can be modeled.
The local pressure loss is calculated using the local pressure loss coefficient
1
2
Here

Controlled valves - 43 -
The gas velocity is calculated using the representative internal diameter of controlled valve D , entered
in the network element data:
4m
wi =
πD 2 ρ i
Here
m Mass flow rate through element [kg.s-1]
D Element diameter [m]

- 44 - Resistor
9 Resistor
A resistor is an element representing the lumped resistance of an armature, partially closed valve,
filtering equipment etc. The hydraulic resistance is characterized by the local pressure loss coefficient.
The resulting pressure drop is described by the equation
1
2
Here
The gas velocity is calculated using the representative internal diameter of the resistor D , entered in
network element data:
4m
wi =
πD 2 ρ i
The resistor element works in both directions of gas flow.
The temperature drop caused by Joule-Thomson effect is included in the resistor description:
T ( pi ) = Ti
dT
= µ JT ( p, T )
dp
To = T ( p o )
Here
Ti Inlet temperature [K]
µ JT Joule-Thomson coefficient [K.bar-1]
T ( p ) Solution of the initial-value problem
To Outlet temperature [K]

State reconstruction - 45 -
10 State reconstruction
The state of a network is described by a complete set of values for all process variables, namely
pressures and flow rates, for the entire network. Naturally, because of the perpetual transients in the
network, the state changes continually.
The task to calculate the most probable estimate of the actual state of the network on the basis of a
restricted number of measured variables and considering the individual accuracy of measurements is
called state reconstruction.
In control theory the concept of State Observer is used for the state reconstruction task. Nevertheless,
the solution of this problem can be found in literature only for zero mean random errors and zero
systematic errors of measured variables.
The ability to find the state of a given dynamic system on the basis of a set of values measured over a
time interval is called observability. Consider all non by-passed compressor stations, control valves,
and closed valves removed from the network. This divides the network into separated sub-networks. If
all supplies and off-takes are measured, set points of non-pipe elements are known, and at minimum
one pressure measurement exists in each sub-network, the entire system is observable. The sub-
network in which there is no pressure measurement available for a longer time is not observable. The
reason is the following. The errors in flow rate measurements result in uncertainty of the in-take/off-
take balance of the sub-network. Without the information about pressure the system is unable to
compensate for the drift of balance.
State reconstruction is built as an observer, which is using a closed loop system consisting of a
dynamic model of the system and a controller.
Input
System
err_2 real err_1
state
estimated measurement
state
-
Model
Controller
What is above the dashed line is unknown for us. We have only a model of the system and some input
and a restricted number of measurements that are corrupted by errors. If the model is a ‘good’
approximation of the system, and the controller makes the closed loop stable, then the observer
(laying below the dashed line) is able to fulfill the task of state reconstruction.
The output of the dynamic model is compared with measured variables. The difference is used by the
controller that actuates on the model to minimize the difference, i.e. to get the state of the simulated
system close to reality. The task is to find such a gain of the controller, which corresponds to an
„optimum solution“. If the „optimum solution" is defined by the minimum variance of the state
reconstruction error, the solution is known as Kalman filter.
10.1 State reconstruction in SIMONE

In the case of pipeline networks, such a solution is not practical due to the high dimension of the
system. Instead of an optimum, a sub-optimum solution combining the mathematical approach with
engineering aspects has been elaborated. The result is the real-time state reconstruction.

- 46 - State reconstruction
The state reconstruction is performed in two subsequent steps:

1. In the first step, a simulation is calculated. Within the step, the corrections of in-takes and off-
takes are done in the nodes with pressure measurements. The correction is done by
„additional artificial off-takes“. Their magnitude is stated on the basis of pressure
measurements considering the accuracy of pressure and flow rate data.
Input pressure, output pressure, and flow rate are used to be measured for the controlled
elements (compressor stations and control valve). From these values a special control mode
is constructed to minimize for each controlled element the objective
(p i − pi∗ ) + (p
2
o − p o∗ ) + (m − m ) + (m − m )
2 ∗ 2
s
2
σ pi2 σ po
2
σ m2 σ s2
subject to hydraulic conditions in tubes. Other constraints like compressor characteristics are
not taken into account.
Here
pi , σ pi Input pressure, accuracy of input pressure measurement
p o , σ po Output pressure, accuracy of output pressure measurement
m ,σ m Flow rate, accuracy of flow rate measurement
ms , σ s Flow rate driven by set-point requirement, accuracy of flow rate set-point
requirement
∗ Marks the measured values
The accuracy of the flow rate given by set-point requirements is by experience set to 0.07 m s .
If any measurement is not available, the corresponding term in the objective is omitted.
2. In the second step, the distances between measured and estimated pressures are minimized
respecting the uncertainty of pressure drops on tube elements computed in the first step. The
minimized objective is
(P − P ) * T
( )
RP−1* P − P * + (∆P − ∆P_ ) R∆−P1 (∆P − ∆P_ ) + (P − P_ ) R_−1 (P − P_ )
T T
Here
P Vector of estimated pressures
P_ Vector of pressures in the first step
P* Vector of measured pressures (zero in the diagonal matrix R P∗ corresponds to non-

measured pressure)
∆P Vector of estimated pressure drops on pipe elements
∆P_ Vector of pressure drops on pipe elements in the first step
R P∗ Diagonal matrix with non-zero elements in the nodes with pressure measurements
only; the values of these elements are variances of pressure measurements
R_−1 Diagonal matrix with positive elements close to zero; it is used only to overcome
numerical problems arising when in some part of the network the pressure
measurements are missing
R∆P Diagonal covariance matrix of pressure drops derived from resistance of tubes and
uncertainty of flow rates in the first step
10.2 Outlying Measured Data

The SIMONE concept is based on suppressing of outliers instead of omitting them. The reason is to
avoid the possible loss of observability in case that all pressure measurements are omitted in a sub-
network. In SIMONE, the following method is used:
• If the difference between the results of the first reconstruction step and the pressure
measurement is greater than rel p × σ p , where rel p is the coefficient and σ p is the accuracy

State reconstruction - 47 -
of pressure measurement, then the difference value is locally used as the modified accuracy
of the measurement.
• If the difference between the first reconstruction step and the flow rate measurement is greater
than rel m × σ m , where rel m is the coefficient and σ m is the accuracy of flow rate
measurement, then this number is locally used as the modified accuracy of the measurement.
The results of this approach evidently depend on the parameters rel p and rel m .
10.3 State Reconstruction Parameters

The process of state reconstruction requires several parameters defined in the program environment.
Different setting of the parameters is recommended for the “starting reconstruction run” where initial
conditions may be far from reality and for “normal reconstruction run” where initial conditions are
already rather realistic. Nevertheless, modifying these parameters is recommended only to
experienced users.
relQP Real number modifying artificial off-takes (these are defined in all supply/off-take nodes
where pressure measurement is available) as
σ Q * relQP
QP =
σp
(p − p* )
Here
σQ is the accuracy of the supply/off-take
σp is the accuracy of the pressure measurement.
Recommended value is 0.2;1.
sigma _ m Coefficient reflecting uncertainty of pipe line pressure drops in the first step of
reconstruction (see matrix R∆P ).
Recommended value is 0.03;010
.
rel p Coefficient for managing outlying pressure measurement data.
Recommended value is 3;10
rel m Coefficient for managing outlying flow rate measurement data.
Recommended value is 5;20
For the “starting reconstruction run” use values of parameters near to upper bound and for “normal
reconstruction run” to lower bound.
10.4 Tools for Scanning State Reconstruction

For scanning and checking the state reconstruction results, the following values can be displayed by
the SIMONE graphic support:
nodename.phat Change of pressure in node „nodename“ in the second step of

reconstruction
node1^node2.qrec Mean value of „extra flow rate" corresponding to the change of pressures in the
element „node1^node2“since the last writing of results to the database
subsystem.aqrec Mean value of „extra flow rate “ corresponding to the change of pressures in the
subsystem „subsystem“ since the last writing of results to the database. This
gives information about imbalance of in-takes and off-takes in the subsystem
subsystem.aqp Mean value of flow rate corresponding to the sum of artificial off-takes in the
subsystem „subsystem“ since the last writing of results to database
subsystem.asupp Mean value of flow rate corresponding to the sum of supplies in the subsystem
„subsystem" in the reconstruction since last writing of results to database.
subsystem.aoff Mean value of flow rate corresponding to the sum of off-takes in the subsystem

- 48 - State reconstruction
„subsystem“ in the reconstruction since last writing of results to database

Using TOTAL as the name of a subsystem, the data for the whole network are displayed. Because
gases of different quality may stream within the network, the above subsystem variables are
expressed in volumetric units using the default gas defined in topoeditor.
The reason for using the “mean value of flow rate since the last writing’’ is the calculation of mass
balance under the circumstances of different computation time step and writing time step.
There are two integrals in the graphic arithmetic: INTG for integrating by trapezoidal rule and INTG2
for rectangular rule. To compute balances use INTG only for supplies and off-takes where continuous
linear interpolation between samples is assumed. For all other flow rates use INTG2.
It is possible to use the statement tv qrec in the command line to have a quick overview of the
situation in the network at a particular time instant.
10.5 Metering station
Flow metering equipment is typically installed either at stations where gas is entering or leaving the
pipeline system or at compressor stations and control valve stations. In the first case, the flow
information is passed to the state reconstruction as a boundary flow at nodes, for other stations it allows
for assigning the flow meter information to the stations.
The only case not covered by this concept occurs for if the flow meter is just in between pipe elements
without any significant or controlled pressure change. To allow such meter information to pass to the
state reconstruction, a specially marked control valve element can be used, that we call a metering
station.
The name of a control valves which is to be used as a metering must be changed in the network editor to
read
control valve name:1:
(Note: The maximum length of the name is still 12 characters.)
Once the network is being activated, the additional characters :1: are removed and the control valve
retains its original name. The change in name only keeps to be visible in the network editor. This has the
advantage of leaving the name for reconstruction purposes unchanged.
The control valve now only has three control modes, OFF, BP and MEA.
In the mode MEA a metered flow passed for the element is used in the reconstruction. It then tries to
adjust the flow accordingly, but keeping a zero pressure drop across the element.

Steady-State Optimization - 49 -
11 Steady-State Optimization
The steady-state optimization for fixed compressor configurations is based on a gradient method of
feasible directions. The attention is focused on the design of the control strategy with respect to
commercial policy taking into account the network possibilities, the storage capacities, the structure of
contracts, etc.
11.1 Objective Function

The objective function is represented as a sum of different penalty functions (for fuel consumption, for
price of purchased gas, for pressure condition, etc.). The components of penalty functions can be
classified into two groups:
• Terms expressing the basic aims of optimization (fuel consumption, prices of gas etc.).
• Terms substituting some constraints by penalty functions (e.g., for pressure and flow rate
conditions) to reach the feasibility.
If the components of the above two classes are merged together in one objective function, a „valley
problem” may emerge what decreases the speed of convergence. Therefore, we only use the terms
from the second group for finding a feasible solution, and then apply the first group (completed by all
constraints) for the optimization itself.
11.2 Constraints
The constraints can be classified into three basic groups:
1. Constraints related to pipe elements. These constraints are equalities.
2. Constraints related to non-pipe elements and representing the fixed operation limits of built-in
technological devices (compressor stations, control valves). These constraints are
inequalities.
3. Constraints determined by contractual conditions. These constraints are inequalities.
The constraints 1 and 2 can be derived from the simulation model; the constraints 3 are defined (and
changed) by the user.
11.3 SIMONE Method of Steady-State Optimization

The method is based on a generalized reduced gradient method and a generalized projection
gradient method with the use of a steady-state simulation model.
The set of constraints can be divided into two basic groups: the equality constraints (group 1) and the
inequality ones (groups 2 and 3).
The constraints read after the local linearization at the working point x 0 , for the first group:
Ax 0 x = a x 0
and for the second group
B x 0 x ≤ bx 0
The number of equality constraints can be great (it is determined by the network extent), but the
following transformation can simply be computed (using the knowledge of the structure of Ax 0 ):
x = D x0 y
where y is a choice of linearly independent variables from x and matrix D x 0 has a special structure
given by the configuration of the network. From this follows, that it is advantageous to respect these
constraints in the computation of a new step of optimization by gradient reduction.

- 50 - Steady-State Optimization
The inequality constraints will then be transformed to:

M x 0 y ≤ bx 0
M x0 = Bx0 Dx0
It should be noted that the vector y represents the set of control variables. The set points of non-pipe
elements need not necessarily correspond to real control variables used for the optimization – it is
better to interpret them as a way how to describe the final optimum solution (may be completed by
some additional information about the pressure and flow rate distribution).
The number of active constraints belonging to the second group is much smaller as compared to the
number of constraints of the first group, but it changes within iterations. The integration of these
constraints in the first group would significantly complicate the computation as well as the structure of
the matrix D x 0 . Moreover, the procedure of determining the D x 0 matrix would have to be repeated
any time the number of active constraints changes! For these reasons, the method of gradient
projection was chosen to respect the constraints. It enables to change the number of active
constraints very simply. This method also allows solving the problem of linearly dependent constraints
(this problem does not occur in the first group of constraints).

Hydrate formation risk analysis - 51 -
12 Hydrate formation risk analysis
12.1 Equilibrium condition

The Hydrate Formation Risk analysis is based on the detection of the three-phase equilibrium
condition gas – free water – hydrate within the pipeline system. This equilibrium is expressed by the
relation of
• Local gas temperature T
• Water dew point temperature Td
• Hydrate equilibrium temperature Th .
This can be seen on the following picture showing the longitudinal profiles of pressure and
temperatures along a pipeline.
T<Td Free water

present
p
Td(p,WC)
Th(p)
T<Td
T<Th
Gas Hydrate formation Gas

inlet risk area outlet
The water content of gas WC [g/m3 std. dry] is being tracked over the network (as a gas quality
parameter). For known water content and given pressure, the water dew point temperature can be
calculated anywhere in the network.
The hydrate equilibrium temperature calculation can take into account the effect of hydrate inhibitors
(methanol, glycols). For this purpose, the inhibitor content of gas IC [g/m3 std. dry] is being tracked
over the network.
12.2 Water dew point

The water dew point temperature Td is calculated from the water content of gas
Td = Td ( p,WC , x ) .
Here
p Pressure [Pa]
WC Water content of gas [g/m3 std. dry]

- 52 - Hydrate formation risk analysis
x Gas composition using molar fractions (dry gas) [1]
12.2.1 Bukacek approximation

The equilibrium water content of gas is expressed as a function of pressure and temperature:
A
WC 0 = +B
p
Here
WC 0 Equilibrium water content [g/m3 at 101.325 kPa and 0ºC, dry]
p Gas pressure [bar]
A,B Temperature-dependent coefficients:
The coefficients A and B are given by the following equations:

t ∈ − 40°C,+40°C :
( )
A = 4.9265573 exp 0.0737433t − 0.00030673912t 2
B = 0.0448739 exp(0.053570327t − 0.00019866041t ) 2
t ∈ + 40°C,+90°C :
( )
A = 6.1569611 exp 0.0620686t − 0.00013096345t 2
B = 0.0405058 exp(0.055042799t − 0.00016553793t ) 2
t ∈ + 90°C,+130°C :
(
A = 6.1569611exp 0.0620686t − 0.00013096345t 2 )
B = 0.0700737 exp(0.032637894t )
The Bukacek approximation is suitable for sweet natural gases ( r ≤ 0.8 , xCO2 < 2% , x H 2 S < 1.5% ).
12.3 Hydrate equilibrium

The hydrate equilibrium temperature is given by a function
Th = Th ( p, x )
Here
p Pressure [Pa]
x Gas composition using molar fractions (dry gas) [1]
12.3.1 Motiee approximation

A simple relation involving gas relative density only (published in form of charts)
Th = Th ( p, r )
has been approximated by Motiee using the equation
t = b1 + b2 log p + b3 log 2 p + b4 r + b5 r 2 + b6 r log p
Here (note the imperial units!)

t Temperature [ºF]
p Pressure [psia]

b1 Kb6 Coefficients
The values of coefficients are
i bi
1 -238.24469
2 78.996674
3 -5.352544
4 349.473877
5 -150.854675
6 -27.604065
The original charts exhibit relatively high uncertainty, especially for gas relative density around 0.6.
However the Motiee approximation seems to perform well for sweet, methane-rich gas.
12.3.2 Carson-Katz method

The Carson-Katz K vs -model is based on vapor-solid distribution coefficients. The hydrate equilibrium
temperature is calculated from the condition
xi
∑ K ( p, T ) = 1
i vs ,i h
Here
K vs ,i Vapor-solid distribution coefficient for gas component i [1]
xi Molar fraction of component i in dry gas [1]
Subscript i Hydrate-forming components of natural gas: CH4, C2H3, C3H8, i-C4H10, n-C4H10,
N2, CO2, H2S
The K vs ,i coefficients are calculated using the approximation published by Sloan:
ln K vs ,i = Ai + Bi t + C i p + Di t −1 + Ei p −1 + Fi pt + Gi t 2 + H i p 2 + I i pt −1 + J i ln pt −1 + ( )
K i p − 2 + Li tp −1 + M i t 2 p −1 + N i pt − 2 + Oi tp −3 + Pi t 3 + Qi p 3 t − 2 + Ri t 4
Here
t Temperature [ºF]
p Pressure [psia]
Ai K Ri Coefficients
12.3.3 Ponomarev approximation

The Ponomarev approximation of hydrate equilibrium reads
0.0541(P0 + t ) for t > 0°C
log p = 
 0.0171(P1 + t ) for t < 0°C
Here
p Pressure [at]
P0 , P1 Coefficients dependent on reduced relative density r ′ [1]

∑r x i i
r′ = i
Reduced relative density [1]
∑x i
i
ri Relative density of component i [1]

xi Molar fraction of component i in dry gas [1]
Subscript i Stands for CH4, C2H6, C3H8, C4H10 (sum of i-C4H10 and n- C4H10), CO2, H2S
The values of P0 , P1 are given by the following table:
r′ P0 P1 r′ P0 P1 r′ P0 P1
0,56 24,25 77,4 0,71 13,85 43,9 0,86 12,07 37,6
0,57 21,80 70,2 0,72 13,72 43,4 0,87 11,97 37,2
0,58 20,00 64,2 0,73 13,57 42,9 0,88 11,87 36,8
0,59 18,53 59,5 0,74 13,44 42,4 0,89 11,77 36,5
0,60 17,67 56,1 0,75 13,32 42,0 0,90 11,66 36,2
0,61 17,00 53,6 0,76 13,20 41,6 0,91 11,57 35,8
0,62 16,45 51,6 0,77 13,08 41,2 0,92 11,47 35,4
0,63 15,93 50,0 0,78 12,97 40,7 0,93 11,37 35,1
0,64 15,47 48,6 0,79 12,85 40,3 0,94 11,27 34,8
0,65 15,07 47,6 0,80 12,74 39,9 0,95 11,17 34,5
0,66 14,76 46,9 0,81 12,62 39,5 0,96 11,10 34,2
0,67 14,51 46,2 0,82 12,50 39,1 0,97 11,00 33,9
0,68 14,34 45,6 0,83 12,40 38,7 0,98 10,92 33,6
0,69 14,16 45,0 0,84 12,28 38,3 0,99 10,85 33,3
0,70 14,00 44,5 0,85 12,18 37,9 1,00 10,77 33,1
12.3.4 Remarks on accuracy and choice of models

These models for hydrate equilibrium temperature calculation have been verified against the codes
CSMHYD (detailed thermodynamic model of hydrate equilibrium) and HYDK (implementation of K vs -
model) of the Colorado School of Mines for the pressure range up to about 100 bar (1500 psia) for
three typical compositions of natural gas:
Component [%mol.] L-gas “Groningen”CH4-rich “Russian”H-gas “North Sea”
CH4 81,29 96,52 85,91
N2 14,32 0,26 1,00
CO2 0,89 0,60 1,49
C2H6 2,87 1,82 8,49
C3H8 0,38 0,46 2,31
H2O 0,00 0,00 0,00
H2S 0,00 0,00 0,00
H2 0,00 0,00 0,00
CO 0,00 0,00 0,00
O2 0,01 0,00 0,00
i-C4H10 0,00 0,10 0,35
n-C4H10 0,15 0,10 0,35
i-C5H12 0,00 0,05 0,05
n-C5H12 0,04 0,03 0,05
n-C6H14 0,05 0,07 0,00
Relative density r 0,645 0,581 0,650
Reduced relative density r ′ 0,589 0,578 0,646

The results of CSMHYD, HYDK, Motiee, Ponomarev and our implementation of K vs -model (referred
below as HETKVS) are shown on the following pictures:
Hydrate equilibrium curve for "Groningen gas"
1000
CSMHYD p->T
CSMHYD T->p
100
p [bar]
CSM K-code
Motie
10
Ponomarev
HETKVS
1
-5 0 5 10 15 20 25 30
t [ºC]
Hydrate equilibrium curve for "Russian gas"
1000
CSMHYD
100 CSMHYD T->p
p [bar]
CSM K-code
Motie
10
Ponomarev
HETKVS
1
-5 0 5 10 15 20 25 30
t [ºC]
Hydrate equilibrium curve for "North Sea gas"
1000
CSMHYD
100 CSMHYD T->p
p [bar]
CSM K-code
Motie
10 Ponomarev
HETKVS
1
-5 0 5 10 15 20 25 30
t [ºC]

The results of hydrate equilibrium temperature calculation for given pressure may be summarized in
the following points:
• The computationally simplest approximation by Motiee performs with precision about 0.5 ºC
for CH4-rich gas (“Russian gas”). For other natural gases (C2H6-rich H-gas “North Sea” and
N2-rich L-gas “Groningen”) the error may significantly increase (up to 5 ºC).
• For the Ponomarev approximation, similar results as those for the Motiee formula hold (about
1ºC for “Russian gas” and the accuracy significantly decreases for the other two types of
natural gas). The higher computational complexity (gas composition tracking) however makes
this method inferior to the Motiee formula.
• The K vs -model performs much better even for very different gases as it takes into account
the composition of gas (observed accuracy to 1ºC for all three above mentioned basic gas
types, to 0.5 ºC for “Russian gas”). Therefore this model seems to be the most
recommendable general solution, well compromising accuracy and speed.
12.4 Effect of inhibitors

The lowering of hydrate equilibrium temperature due to the presence of an inhibitor is calculated by
the Hammerschmidt equation
1297 X
∆Th =
M 100 − X
Here
∆Th Lowering of hydrate equilibrium temperature [K]
M Molar weight of inhibitor [g.mol-1]
X Weight fraction of inhibitor in solution with free water [% wt.]
Currently, methanol, ethylenglycol and diethylenglycol are supported as hydrate inhibitors.
The weight fraction X of inhibitor dissolved in free water is calculated from the equations:
WC = WC 0 ( p, T , x ) + WC l
X
IC = MC v ( p, T )X + WC l for methanol
100 − X
IC
X = × 100 for glycols
WC l + IC
Here
WC Total (tracked) water content of gas [g/m3 std. dry]
WC 0 Equilibrium water content of gas [g/m3 std. dry]
WC l Free water content [g/m3 std. dry]
IC Total (tracked) inhibitor content of gas [g/m3 std. dry]
MC v ( p, T ) Methanol losses to the hydrocarbon phase –  g/m 3std. 
amount of methanol vaporized into gas per 1% wt.  
of methanol dissolved in free water  % wt. methanol in free water 
An approximation built upon the classic chart of MC

v
( p, T ) published by Campbell is currently used:
 b1 b4 b7  1 
  
v
(
MC = 1, t , t  b22
) b5 b8  log p 
b b6 b9  log 2 p 
 3
Here

MC v ( p, T ) Methanol losses to the  g/m 3 (101.325 kPa, 15°C ) 

hydrocarbon phase  
 % wt. methanol in free water 
t Temperature [ºC]
p Pressure [bar]
The Hammerschmidt equation is reported to be accurate to a certain upper limit of the inhibitor fraction
(30% for methanol and 50% for glycols). Therefore the value of ∆Th is limited to the corresponding
maximum.
12.5 Risk indicators

The results of the equilibrium analysis over a pipe element are derived from the detailed internal
temperature profile used by the SIMONE Heat Dynamics module (see chapter 6). The following
parameters show, how far the local gas conditions are from the equilibrium ones. For each pipe
element the worst case, i.e. the minimum of these sub cooling values over the element length, is
stored:
• Gas sub cooling with respect to water dew point temperature:

DTDP = min (T − Td )
ξ ∈[0; L ]
• Gas sub cooling with respect to hydrate equilibrium temperature:
DTHE = min (T − Th )
ξ ∈[0; L ]
• Gas sub cooling with respect to the three-phase equilibrium boundary temperature:
DTHF = min (T − min (Td , Th ))
ξ ∈[0; L ]
Here
L Pipe length [m]
ξ Longitudinal coordinate [m]
Note: If the profiles of all temperatures along the pipe element are monotone (what is the most
frequent case), these three indicators only show two different values:
DTHF = max(DTDP, DTHE )
However the monotonicity of all profiles along a pipe element is generally not guaranteed (assume for
example the possibility of a “batch” of gas of different water content moving inside the pipe element),
so all three indicators have to be stored.

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SIMONE Software Equations and Methods

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LIWACOM

Equations and Methods

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2.1 Gauge pressure for low-pressure networks

p 0 = 101.325 kPa is air pressure at sea level

© SIMONE Research Group, s.r.o.

3.1 Continuity equation

3.2 Momentum equation

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3.3 Friction factor

3.3.1 Hofer formula

Reynolds number is defined by

3.3.2 Nikuradze formula

It is easy to see that as Re → +∞ the Hofer formula is equal to Nikuradze.

3.3.3 PMT-1025 formula

Here the equivalent pipe roughness is taken as constant ( k = 0.03 mm )

© SIMONE Research Group, s.r.o.

3.3.4 Pipe efficiency

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3.3.5 Comparison of Hofer and Nikuradze formulae

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Differences in λ , Hofer / Nikuradze

Q[1000m3/h] Reynolds number / flow rate

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4 Equation of state for real gas

• 2-parametric equations of state:

x1 K x N Molar fractions of gas components [1]

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ωi Acentric factor of component i [1]

• General equation of state:

4.1 AGA (American Gas Association)

4.2 Papay formula

z = 1 − 3.52 p r exp(− 2.260Tr ) + 0.274 p r2 exp(− 1.878Tr )

4.3 Redlich-Kwong equation

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In such a case, the Redlich-Kwong equation is used as 2-parametric equation of the

4.4 BWR equation

4.4.1 Simple fluid approach

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α c,i Critical Riedel factor for component i

x1 K x N Molar fractions of gas components

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As a result, this simplification leads to 3-parametric equation of the form z = z ( p r , Tr , ω ) .

4.4.2 Full mixing rules

4.5 AGA8 DC92 equation

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temperature and composition)

The reduced density is related to molar density by the equation

The procedure for calculation of composition and temperature-dependent coefficients is rather

4.6 Thermodynamic properties of real gas

4.6.1 Specific heat

c~p = c~p0 (T ) + ∆c~p ( p, T , x1 , K , x N )

Specific heat per unit of mass is then

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The real gas correction can be expressed by the equation

4.6.2 Isentropic exponent

4.6.3 Joule-Thomson coefficient

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4.7 Calculation of gas properties using gas composition

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4.7.1 Calculation of relative density and volumetric heating value

xi Molar fractions of mixture components [1]

H U = H U [TH , T0 ] [MJ/m3 std.]

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